[(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [(3S)-1-(1-phenethyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [(3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-pyrrolidino-methanone Formula: C23H37N3O+2 MolecularWeight: 371.55938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H35N3O/c27-23(25-13-4-5-14-25)21-9-6-15-26(19-21)22-11-17-24(18-12-22)16-10-20-7-2-1-3-8-20/h1-3,7-8,21-22H,4-6,9-19H2/p+2/t21-/m0/s1